(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide

C18H20ClNO5 — CID 9181052

IUPAC(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1cc(NC(=O)[C@H](C)Oc2ccccc2OC)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO5/c1-11(25-15-8-6-5-7-14(15)22-2)18(21)20-13-10-16(23-3)12(19)9-17(13)24-4/h5-11H,1-4H3,(H,20,21)/t11-/m0/s1
InChIKeyBSXAYDAGFMSXRM-NSHDSACASA-N
MW365.81 g/mol
LogP3.77
Rot. Bonds7

About (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide

(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide (PubChem CID 9181052) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
PubChem CID9181052
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1cc(NC(=O)[C@H](C)Oc2ccccc2OC)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO5/c1-11(25-15-8-6-5-7-14(15)22-2)18(21)20-13-10-16(23-3)12(19)9-17(13)24-4/h5-11H,1-4H3,(H,20,21)/t11-/m0/s1
InChIKeyBSXAYDAGFMSXRM-NSHDSACASA-N
XLogP3.77
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 38916474
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 46771651
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31966341
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 42905073
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 53266468

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide (CID 9181052) is (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide is COc1cc(NC(=O)[C@H](C)Oc2ccccc2OC)c(OC)cc1Cl.
What is the InChIKey of (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide?
The InChIKey is BSXAYDAGFMSXRM-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-11(25-15-8-6-5-7-14(15)22-2)18(21)20-13-10-16(23-3)12(19)9-17(13)24-4/h5-11H,1-4H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide?
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide has a molecular weight of 365.81 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 9181052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).